ChemSpider 2D Image | Phenyl [(1R,2R,4R)-1,4,5,6-tetrabromobicyclo[2.2.1]hept-5-en-2-yl]acetate | C15H12Br4O2

Phenyl [(1R,2R,4R)-1,4,5,6-tetrabromobicyclo[2.2.1]hept-5-en-2-yl]acetate

  • Molecular FormulaC15H12Br4O2
  • Average mass543.871 Da
  • Monoisotopic mass539.757080 Da
  • ChemSpider ID74103602

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1R,2R,4R)-1,4,5,6-Tétrabromobicyclo[2.2.1]hept-5-én-2-yl]acétate de phényle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-acetic acid, 1,4,5,6-tetrabromo-, phenyl ester, (1R,2R,4R)- [ACD/Index Name]
Phenyl [(1R,2R,4R)-1,4,5,6-tetrabromobicyclo[2.2.1]hept-5-en-2-yl]acetate [ACD/IUPAC Name]
Phenyl-[(1R,2R,4R)-1,4,5,6-tetrabrombicyclo[2.2.1]hept-5-en-2-yl]acetat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point: 487.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.719
Molar Refractivity: 96.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14997.00
ACD/KOC (pH 5.5): 33944.68
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14997.00
ACD/KOC (pH 7.4): 33944.68
Polar Surface Area: 26 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

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